Publications
Filters: Author is Van de Walle, CG [Clear All Filters]
Inflection points in the conduction-band structure of BaSn O 3. Physical Review B. 102:115201.
.
2020. Accurate and efficient band-offset calculations from density functional theory. Computational Materials Science. 151:174–180.
.
2018. Origins of n-type doping difficulties in perovskite stannates. Physical Review B. 97:054112.
.
2018. Acceptor doping in the proton conductor SrZrO 3. Physical Chemistry Chemical Physics. 19:11485–11491.
.
2017. Controlling n-Type Doping in MoO3. Chemistry of Materials. 29:2563–2567.
.
2017. Deep donor state of the copper acceptor as a source of green luminescence in ZnO. Applied Physics Letters. 111:042101.
.
2017. First-principles characterization of native-defect-related optical transitions in ZnO. Journal of Applied Physics. 122:035704.
.
2017. Hole polarons and p-type doping in boron nitride polymorphs. Physical Review B. 96:100102.
.
2017. Defects in AlN as candidates for solid-state qubits. Physical Review B. 93:161201.
.
2016. Donor defects and small polarons on the TiO2 (110) surface. Journal of Applied Physics. 119:181503.
.
2016. Impact of nitrogen and carbon on defect equilibrium in ZrO 2. Acta Materialia. 117:286–292.
.
2016. Surprising stability of neutral interstitial hydrogen in diamond and cubic BN. Journal of Physics: Condensed Matter. 28:06LT01.
.
2016. Brittle fracture toughnesses of GaN and AlN from first-principles surface-energy calculations. Applied Physics Letters. 106:212103.
.
2015. Defects as qubits in 3 C- and 4 H- SiC. Physical Review B. 92:045208.
.
2015. First-principles study of surface charging in LaAlO 3/SrTiO 3 heterostructures. Physical Review B. 92:085420.
.
2015. Free-carrier absorption in transparent conducting oxides: Phonon and impurity scattering in SnO 2. Physical Review B. 92:235201.
.
2015. Impact of electric-field dependent dielectric constants on two-dimensional electron gases in complex oxides. Applied Physics Letters. 107:183505.
.
2015. Small hole polarons in rare-earth titanates. Applied Physics Letters. 106:232103.
.
2015. Structural and electronic properties of SrZrO 3 and Sr (Ti, Zr) O 3 alloys. Physical Review B. 92:085201.
.
2015. Band alignment at band-insulator/Mott-insulator interfaces. physica status solidi (RRL)-Rapid Research Letters.
.
2014. Carbon as a Shallow Donor in Transparent Conducting Oxides. Physical Review Applied. 2:064005.
.
2014. Effects of carbon on the electrical and optical properties of InN, GaN, and AlN. Physical Review B. 89:035204.
.
2014. Effects of hole localization on limiting p-type conductivity in oxide and nitride semiconductors. Journal of Applied Physics. 115:012014.
.
2014. Hybrid functional calculations of D X centers in AlN and GaN. Physical Review B. 89:085204.
.
2014. Hybrid functional calculations of point defects and hydrogen in SrZrO 3. Physical Review B. 89:184109.
.
2014.